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SCHEMBL2273597

SCHEMBL2273597

CN(C)C(=O)NC1CCC(n2cnc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c32)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 18/20 0.46
▸ JAK2 O60674 2/20 0.37
▸ TYK2 P29597 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ HTR6 P50406 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2273246 0.88 JAK1 (0.52) JAK1JAK2TYK2JAK3
SCHEMBL2269256 0.86 JAK1 (0.46) JAK1JAK2TYK2JAK3
SCHEMBL2275305 0.86 JAK1 (0.61) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2276023 0.85 JAK1 (0.47) JAK1JAK2TYK2JAK3
SCHEMBL13823487 0.84 JAK1 (0.49) JAK1JAK2TYK2JAK3
SCHEMBL2274681 0.84 JAK1 (0.59) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2223730 0.84 JAK1 (0.53) JAK1JAK2TYK2JAK3
SCHEMBL2274818 0.84 JAK1 (0.46) JAK1HTR6
SCHEMBL2278824 0.83 JAK1 (0.49) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2224002 0.82 JAK1 (0.47) JAK1JAK2TYK2JAK3HTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 — — EP disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 — — WO disclosed